SrB14W
Alexandria ALEXAlex-ID: agm005754189 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
B2W SrB6 B
2023-07-18 14:04:43.007333
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754189).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005754189
data_agm005754189
_cell_length_a 5.88216
_cell_length_b 7.49646
_cell_length_c 7.49646
_cell_angle_alpha 67.57391
_cell_angle_beta 66.90049
_cell_angle_gamma 66.90049
_cell_volume 269.37186
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.25000 0.38492 0.11508 1.00000
Sr2 Sr 0.75000 0.61508 0.88492 1.00000
B1 B 0.66647 0.36461 0.30246 1.00000
B2 B 0.33353 0.63539 0.69754 1.00000
B3 B 0.16647 0.80246 0.86461 1.00000
B4 B 0.83353 0.19754 0.13539 1.00000
B5 B 0.12066 0.24933 0.50934 1.00000
B6 B 0.87934 0.75067 0.49066 1.00000
B7 B 0.62066 0.00934 0.74933 1.00000
B8 B 0.37934 0.99066 0.25067 1.00000
B9 B 0.08148 0.08608 0.75096 1.00000
B10 B 0.91852 0.91392 0.24904 1.00000
B11 B 0.58148 0.25096 0.58608 1.00000
B12 B 0.41852 0.74904 0.41392 1.00000
B13 B 0.72104 0.60041 0.27865 1.00000
B14 B 0.60011 0.39959 0.72135 1.00000
B15 B 0.22104 0.77865 0.10041 1.00000
B16 B 0.10011 0.22135 0.89959 1.00000
B17 B 0.27896 0.39959 0.72135 1.00000
B18 B 0.39989 0.60041 0.27865 1.00000
B19 B 0.77896 0.22135 0.89959 1.00000
B20 B 0.89989 0.77865 0.10041 1.00000
B21 B 0.32394 0.97141 0.87375 1.00000
B22 B 0.16910 0.02859 0.12625 1.00000
B23 B 0.82394 0.37375 0.47141 1.00000
B24 B 0.66910 0.62625 0.52859 1.00000
B25 B 0.67606 0.02859 0.12625 1.00000
B26 B 0.83090 0.97141 0.87375 1.00000
B27 B 0.17606 0.62625 0.52859 1.00000
B28 B 0.33090 0.37375 0.47141 1.00000
W1 W 0.50000 0.00000 0.50000 1.00000
W2 W 0.00000 0.00000 0.50000 1.00000
